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Target
Sphingosine 1-phosphate receptor 1
Ligand
BDBM50164494
Substrate
n/a
Meas. Tech.
ChEMBL_1574131 (CHEMBL3801746)
EC50
3.2±n/a nM
Citation
 Watterson, SH; Guo, J; Spergel, SH; Langevine, CM; Moquin, RV; Shen, DR; Yarde, M; Cvijic, ME; Banas, D; Liu, R; Suchard, SJ; Gillooly, K; Taylor, T; Rex-Rabe, S; Shuster, DJ; McIntyre, KW; Cornelius, G; D'Arienzo, C; Marino, A; Balimane, P; Warrack, B; Salter-Cid, L; McKinnon, M; Barrish, JC; Carter, PH; Pitts, WJ; Xie, J; Dyckman, AJ Potent and Selective Agonists of Sphingosine 1-Phosphate 1 (S1P1): Discovery and SAR of a Novel Isoxazole Based Series. J Med Chem 59:2820-40 (2016) [PubMed]  Article 
Target
Name:
Sphingosine 1-phosphate receptor 1
Synonyms:
CHEDG1 | EDG1 | Endothelial differentiation G-protein coupled receptor 1 | S1P receptor | S1P1 | S1PR1 | S1PR1_HUMAN | Sphingosine 1-phosphate receptor 1 (S1PR1) | Sphingosine 1-phosphate receptor Edg-1
Type:
Enzyme
Mol. Mass.:
42836.02
Organism:
Homo sapiens (Human)
Description:
P21453
Residue:
382
Sequence:
MGPTSVPLVKAHRSSVSDYVNYDIIVRHYNYTGKLNISADKENSIKLTSVVFILICCFIILENIFVLLTIWKTKKFHRPMYYFIGNLALSDLLAGVAYTANLLLSGATTYKLTPAQWFLREGSMFVALSASVFSLLAIAIERYITMLKMKLHNGSNNFRLFLLISACWVISLILGGLPIMGWNCISALSSCSTVLPLYHKHYILFCTTVFTLLLLSIVILYCRIYSLVRTRSRRLTFRKNISKASRSSEKSLALLKTVIIVLSVFIACWAPLFILLLLDVGCKVKTCDILFRAEYFLVLAVLNSGTNPIIYTLTNKEMRRAFIRIMSCCKCPSGDSAGKFKRPIIAGMEFSRSKSDNSSHPQKDEGDNPETIMSSGNVNSSS
  
Inhibitor
Name:
BDBM50164494
Synonyms:
CHEMBL3798775
Type:
Small organic molecule
Emp. Form.:
C25H22N4O4
Mol. Mass.:
442.4666
SMILES:
OC(=O)C1CN(Cc2ccc(cc2)-c2noc(n2)-c2noc(c2C2CC2)-c2ccccc2)C1
Structure:
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